![CAS 88150-59-8 2-[[2-(Carbamoylmethylamino)ethoxy]methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methylpyridine-3,5-dicarboxylic acid 3-ethyl 5-methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88150-59-8.gif)
CAS RN: 88150-59-8
2-[[2-(Carbamoylmethylamino)ethoxy]methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methylpyridine-3,5-dicarboxylic acid 3-ethyl 5-methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS88150-59-8
- Purity/Analytical Methods: >99.0%
88150-59-8 / 3-O-ethyl 5-O-methyl 2-[2-[(2-amino-2-oxoethyl)amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic Information
CAS
88150-59-8
Multi CAS
No
Molecular Formula
C22H28CLN3O6
Molecular Weight
465.900000
Exact Mass
465.166663
InChI
InChI=1S/C22H28ClN3O6/c1-4-32-22(29)20-16(12-31-10-9-25-11-17(24)27)26-13(2)18(21(28)30-3)19(20)14-7-5-6-8-15(14)23/h5-8,19,25-26H,4,9-12H2,1-3H3,(H2,24,27)
InChIKey
FAKQIHAUXYAVJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
3
Molar refractivity
118.59
TPSA
128.98
LogP / Solubility
WLOGP
1.38
MLOGP
1.25
XLogP3
2.5
Consensus LogP
1.71
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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